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Compound Detail

CHEMBL1178074

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CCCCCCCCCCCCCCCCCCNC(=O)OC[C@H]1C[C@H](COC(=O)N(Cc2cccc[n+]2CC)C(=O)c2ccc(OC)cc2)S1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178074
Phase Preclinical
Structure Type MOL
InChI Key ZBYDNNHMFMWDLH-XPSQVAKYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

727.0
MW (Da)
9.64
ALogP
7
HBA
1
HBD
98.0
PSA (Ų)
0.08
QED
2
Ro5 Violations
26
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C41H64N3O6S+
MW 727.04
Aromatic Rings 2
Heavy Atoms 51
NP-Likeness -0.34

Data from ChEMBL 36 via Core Engine